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115-94-6 | 1-Butanesulfinothioic acid, 3-methyl-, anhydrosulfide with O,O-dimethyl hydrogen phosphorothioate (9CI)
CAS No: 115-94-6 Catalog No: AG000FK6 MDL No:
Product Description
Catalog Number:
AG000FK6
Chemical Name:
1-Butanesulfinothioic acid, 3-methyl-, anhydrosulfide with O,O-dimethyl hydrogen phosphorothioate (9CI)
CAS Number:
115-94-6
Molecular Formula:
C7H17O4PS2
Molecular Weight:
260.3112
IUPAC Name:
1-dimethoxyphosphorylsulfanylsulfinyl-3-methylbutane
InChI:
InChI=1S/C7H17O4PS2/c1-7(2)5-6-14(9)13-12(8,10-3)11-4/h7H,5-6H2,1-4H3
InChI Key:
GINRGZIWHKUNIY-UHFFFAOYSA-N
SMILES:
COP(=O)(SS(=O)CCC(C)C)OC
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.303g/mol
Monoisotopic Mass:
260.031g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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